SCHEMBL9869481

SCHEMBL9869481

CC1(C)C=Cc2cc(C(O)c3ccccc3C(F)(F)F)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.38
▸ EPAS1 Q99814 8/20 0.38
▸ SCD O00767 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5304916 0.81 HIF1A (0.46) HIF1AEPAS1ALDH1A1CYP3A4HPGD
SCHEMBL16865542 0.75 HIF1A (0.42) HIF1AEPAS1ALDH1A1CYP3A4HPGD
SCHEMBL5308020 0.72 SMN1; SMN2 (0.46) HIF1AEPAS1ALDH1A1CYP3A4HPGD
SCHEMBL22420303 0.72 HIF1A (0.46) HIF1AEPAS1TDP1
SCHEMBL9582367 0.72 HIF1A (0.45) HIF1AEPAS1ALDH1A1CYP3A4HPGD
SCHEMBL7766906 0.70 ALDH1A1 (0.42) HIF1AEPAS1ALDH1A1CYP3A4HPGD
SCHEMBL4174656 0.70 CTNNB1 (0.47) SCDCYP3A4
SCHEMBL5499257 0.69 ALDH1A1 (0.42) HIF1AEPAS1ALDH1A1CYP3A4HPGD
SCHEMBL2781380 0.69 ACP3 (0.42) SCD
SCHEMBL4075729 0.69 ACP3 (0.44) SCDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043344-A Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 — — US disclosed
EP-0337179-A1 Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-18 — — EP disclosed
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